CID 83872204

1-ethyl-1h-1,2,3,4-tetrazole-5-carbaldehyde

Structural Information

Molecular Formula
C4H6N4O
SMILES
CCN1C(=NN=N1)C=O
InChI
InChI=1S/C4H6N4O/c1-2-8-4(3-9)5-6-7-8/h3H,2H2,1H3
InChIKey
VYYSZOUYPOUJRR-UHFFFAOYSA-N
Compound name
1-ethyltetrazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

126.05416 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.061436 122.7
[M+Na]+ 149.043378 133.5
[M-H]- 125.046884 121.4
[M+NH4]+ 144.087983 141.4
[M+K]+ 165.017318 132.6
[M+H-H2O]+ 109.051420 114.7
[M+HCOO]- 171.052361 144.7
[M+CH3COO]- 185.068011 170.0
[M+Na-2H]- 147.028826 130.1
[M]+ 126.05361142 124.6
[M]- 126.05470858 124.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe